N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]-4-methyl-2-(2-phenylethanethioylamino)pentanamide

Systemtic Name: N-[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]-4-methyl-2-(2-phenylethanethioylamino)pentanamide Openeye Name: N-[1-[2-(2-furylmethylsulfanyl)acetyl]pentyl]-4-methyl-2-[(2-phenylethanethioyl)amino]pentanamide CAS Name: N-[1-(2-furanylmethylthio)-2-oxoheptan-3-yl]-4-methyl-2-[(2-phenyl-1-sulfanylideneethyl)amino]pentanamide IUPAC Name: N-[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]-4-methyl-2-[(2-phenylethanethioyl)amino]pentanamide Traditional Name: N-[1-[2-(2-furfurylthio)acetyl]pentyl]-4-methyl-2-[(2-phenylthioacetyl)amino]valeramide Formula: C26H36N2O3S2 MolecularWeight: 488.70564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CC(C)C)NC(=S)CC2=CC=CC=C2

Isomeric SMILES

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CC(C)C)NC(=S)CC2=CC=CC=C2

InChI

InChI=1S/C26H36N2O3S2/c1-4-5-13-22(24(29)18-33-17-21-12-9-14-31-21)28-26(30)23(15-19(2)3)27-25(32)16-20-10-7-6-8-11-20/h6-12,14,19,22-23H,4-5,13,15-18H2,1-3H3,(H,27,32)(H,28,30)